3W3N

Crystal structure of human TLR8 in complex with Resiquimod (R848) crystal form 3

Entity

Entity ID	Chain ID	Description	Type	Chain length	Formula weight	Number of molecules	DB Name (Accession)	Biological source	Descriptive keywords
1	A, B (A, B)	Toll-like receptor 8	polymer	811	92835.4	2	UniProt (Q9NR97) Pfam (PF13855)	Homo sapiens (human)
2	C, E, F, H (C, E, F, H)	alpha-D-mannopyranose-(1-3)-[alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		910.8	4	In PDB GlyTouCan (G22768VO)
3	D, G (D, G)	beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose	branched		586.5	2	In PDB GlyTouCan (G15407YE)
4	I, J, K, L, M... (A, B)	2-acetamido-2-deoxy-beta-D-glucopyranose	non-polymer		221.2	13	Chemie (NAG)
5	O, Q (A, B)	1-[4-amino-2-(ethoxymethyl)-1H-imidazo[4,5-c]quinolin-1-yl]-2-methylpropan-2-ol	non-polymer		314.4	2	Chemie (RX8)
6	P (A)	GLYCEROL	non-polymer		92.1	1	Chemie (GOL)
7	Y, Z (A, B)	water	water		18.0	667	Chemie (HOH)

Sequence modifications

A, B: 27 - 827 (UniProt: Q9NR97)

PDB	External Database	Details
Arg 23	-	expression tag
Ser 24	-	expression tag
Pro 25	-	expression tag
Trp 26	-	expression tag
Glu 828	-	expression tag
Phe 829	-	expression tag
Leu 830	-	expression tag
Val 831	-	expression tag
Pro 832	-	expression tag
Arg 833	-	expression tag

Contents of the asymmetric unit

Polymers	Number of chains	2
	Total formula weight	185670.7
Branched	Number of molecules	6
	Total formula weight	4816.4
Non-Polymers*	Number of molecules	16
	Total formula weight	3596.6
All*	Total formula weight	194083.7

*Water molecules are not included.